N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H16ClN3O — CID 90640012

IUPACN-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-10(2-5-12)8-17-15(20)11-3-6-13-14(7-11)19-9-18-13/h1-2,4-5,9,11H,3,6-8H2,(H,17,20)(H,18,19)
InChIKeyZARXVVMOHNGJRS-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.48
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640012) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640012
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-10(2-5-12)8-17-15(20)11-3-6-13-14(7-11)19-9-18-13/h1-2,4-5,9,11H,3,6-8H2,(H,17,20)(H,18,19)
InChIKeyZARXVVMOHNGJRS-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628324
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662008
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628376
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
(5R)-N-[(2-methoxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662125
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264
(5S)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661556
(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 99992040
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640075
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640227
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640012) is N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is ZARXVVMOHNGJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-4-1-10(2-5-12)8-17-15(20)11-3-6-13-14(7-11)19-9-18-13/h1-2,4-5,9,11H,3,6-8H2,(H,17,20)(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).