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

C16H25N3O — CID 90640525

IUPACN-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC1CCCCC1)CC2
InChIInChI=1S/C16H25N3O/c1-11-18-14-8-7-13(9-15(14)19-11)16(20)17-10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMSLQYAMOXCWKKQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.52
Rot. Bonds3

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

N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640525) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640525
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCC1CCCCC1)CC2
InChIInChI=1S/C16H25N3O/c1-11-18-14-8-7-13(9-15(14)19-11)16(20)17-10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMSLQYAMOXCWKKQ-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640525) is N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCC1CCCCC1)CC2.
What is the InChIKey of N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is MSLQYAMOXCWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-18-14-8-7-13(9-15(14)19-11)16(20)17-10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).