(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C18H23N5O2 — CID 99992040

IUPAC(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C18H23N5O2/c24-18(14-2-3-15-16(9-14)22-12-21-15)20-11-13-1-4-17(19-10-13)23-5-7-25-8-6-23/h1,4,10,12,14H,2-3,5-9,11H2,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyXZZHQACCJHJSER-CQSZACIVSA-N
MW341.42 g/mol
LogP1.06
Rot. Bonds4

About (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 99992040) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID99992040
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C18H23N5O2/c24-18(14-2-3-15-16(9-14)22-12-21-15)20-11-13-1-4-17(19-10-13)23-5-7-25-8-6-23/h1,4,10,12,14H,2-3,5-9,11H2,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyXZZHQACCJHJSER-CQSZACIVSA-N
XLogP1.06
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628463
(5S)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661556
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628376
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 100660021
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839468
(5R)-N-[(2-methoxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662125
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 99992040) is (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCc2nc[nH]c2C1.
What is the InChIKey of (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is XZZHQACCJHJSER-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(14-2-3-15-16(9-14)22-12-21-15)20-11-13-1-4-17(19-10-13)23-5-7-25-8-6-23/h1,4,10,12,14H,2-3,5-9,11H2,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 99992040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).