2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H18N4O — CID 90640382

IUPAC2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C15H18N4O/c1-10-18-13-5-4-12(7-14(13)19-10)15(20)17-9-11-3-2-6-16-8-11/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBCWCMKIFBXFSG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640382) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640382
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C15H18N4O/c1-10-18-13-5-4-12(7-14(13)19-10)15(20)17-9-11-3-2-6-16-8-11/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBCWCMKIFBXFSG-UHFFFAOYSA-N
XLogP1.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640514
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664804
2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628463
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
2-methyl-N-(4-phenylbutan-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640388
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640382) is 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCc1cccnc1)CC2.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is HBCWCMKIFBXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-18-13-5-4-12(7-14(13)19-10)15(20)17-9-11-3-2-6-16-8-11/h2-3,6,8,12H,4-5,7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).