4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C51H64N8O4 — CID 68760078

IUPAC4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCOc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)C1CCN(C2CCCC2)CC1.COc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C27H34N4O2.C24H30N4O2/c1-29(21-13-15-30(16-14-21)22-7-3-4-8-22)27(32)23-12-11-20(17-26(23)33-2)18-31-19-28-24-9-5-6-10-25(24)31;1-17(2)27-12-11-19(15-27)26(3)24(29)20-10-9-18(13-23(20)30-4)14-28-16-25-21-7-5-6-8-22(21)28/h5-6,9-12,17,19,21-22H,3-4,7-8,13-16,18H2,1-2H3;5-10,13,16-17,19H,11-12,14-15H2,1-4H3/t;19-/m.1/s1
InChIKeyLWNCFSWDVXXVRF-VERLMJSHSA-N
MW853.13 g/mol
LogP8.22
Rot. Bonds12

About 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68760078) has the molecular formula C51H64N8O4 and a molecular weight of 853.13 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68760078
Molecular FormulaC51H64N8O4
Molecular Weight853.13 g/mol
Exact Mass852.51
IUPAC Name4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCOc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)C1CCN(C2CCCC2)CC1.COc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C27H34N4O2.C24H30N4O2/c1-29(21-13-15-30(16-14-21)22-7-3-4-8-22)27(32)23-12-11-20(17-26(23)33-2)18-31-19-28-24-9-5-6-10-25(24)31;1-17(2)27-12-11-19(15-27)26(3)24(29)20-10-9-18(13-23(20)30-4)14-28-16-25-21-7-5-6-8-22(21)28/h5-6,9-12,17,19,21-22H,3-4,7-8,13-16,18H2,1-2H3;5-10,13,16-17,19H,11-12,14-15H2,1-4H3/t;19-/m.1/s1
InChIKeyLWNCFSWDVXXVRF-VERLMJSHSA-N
XLogP8.22
TPSA101.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.13
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68760078) is 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is COc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)C1CCN(C2CCCC2)CC1.COc1cc(Cn2cnc3ccccc32)ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is LWNCFSWDVXXVRF-VERLMJSHSA-N. The full InChI is InChI=1S/C27H34N4O2.C24H30N4O2/c1-29(21-13-15-30(16-14-21)22-7-3-4-8-22)27(32)23-12-11-20(17-26(23)33-2)18-31-19-28-24-9-5-6-10-25(24)31;1-17(2)27-12-11-19(15-27)26(3)24(29)20-10-9-18(13-23(20)30-4)14-28-16-25-21-7-5-6-8-22(21)28/h5-6,9-12,17,19,21-22H,3-4,7-8,13-16,18H2,1-2H3;5-10,13,16-17,19H,11-12,14-15H2,1-4H3/t;19-/m.1/s1.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 853.13 g/mol, XLogP of 8.22, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylbenzamide;4-(benzimidazol-1-ylmethyl)-2-methoxy-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).