N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H20N4O — CID 131937652

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc2nc(CNC(=O)c3cnc4c(c3)CCCC4)[nH]c2c1
InChIInChI=1S/C19H20N4O/c1-12-6-7-16-17(8-12)23-18(22-16)11-21-19(24)14-9-13-4-2-3-5-15(13)20-10-14/h6-10H,2-5,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQELJSSBTTVTMSB-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.08
Rot. Bonds3

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 131937652) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID131937652
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc2nc(CNC(=O)c3cnc4c(c3)CCCC4)[nH]c2c1
InChIInChI=1S/C19H20N4O/c1-12-6-7-16-17(8-12)23-18(22-16)11-21-19(24)14-9-13-4-2-3-5-15(13)20-10-14/h6-10H,2-5,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQELJSSBTTVTMSB-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-acetyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-10-propan-2-yl-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110066844
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 50828677
N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18105109
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 131913033

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 131937652) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccc2nc(CNC(=O)c3cnc4c(c3)CCCC4)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QELJSSBTTVTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-6-7-16-17(8-12)23-18(22-16)11-21-19(24)14-9-13-4-2-3-5-15(13)20-10-14/h6-10H,2-5,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 131937652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).