2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C27H34N4O2 — CID 173116998

IUPAC2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCc1nc2cc(C)ccc2n1C1CCN(CC2Cc3ccccc3C2C(N)=O)C[C@H]1OC
InChIInChI=1S/C27H34N4O2/c1-4-25-29-21-13-17(2)9-10-22(21)31(25)23-11-12-30(16-24(23)33-3)15-19-14-18-7-5-6-8-20(18)26(19)27(28)32/h5-10,13,19,23-24,26H,4,11-12,14-16H2,1-3H3,(H2,28,32)/t19?,23?,24-,26?/m1/s1
InChIKeyWHXYDCDAFLFIBL-FLTKUEPTSA-N
MW446.60 g/mol
LogP3.61
Rot. Bonds6

About 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide

2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 173116998) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID173116998
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCc1nc2cc(C)ccc2n1C1CCN(CC2Cc3ccccc3C2C(N)=O)C[C@H]1OC
InChIInChI=1S/C27H34N4O2/c1-4-25-29-21-13-17(2)9-10-22(21)31(25)23-11-12-30(16-24(23)33-3)15-19-14-18-7-5-6-8-20(18)26(19)27(28)32/h5-10,13,19,23-24,26H,4,11-12,14-16H2,1-3H3,(H2,28,32)/t19?,23?,24-,26?/m1/s1
InChIKeyWHXYDCDAFLFIBL-FLTKUEPTSA-N
XLogP3.61
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 173116998) is 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is CCc1nc2cc(C)ccc2n1C1CCN(CC2Cc3ccccc3C2C(N)=O)C[C@H]1OC.
What is the InChIKey of 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is WHXYDCDAFLFIBL-FLTKUEPTSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-25-29-21-13-17(2)9-10-22(21)31(25)23-11-12-30(16-24(23)33-3)15-19-14-18-7-5-6-8-20(18)26(19)27(28)32/h5-10,13,19,23-24,26H,4,11-12,14-16H2,1-3H3,(H2,28,32)/t19?,23?,24-,26?/m1/s1.
What are the key properties of 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 173116998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).