N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide

C21H27N5O — CID 17218632

IUPACN-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCc1nccn1CCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C
InChIInChI=1S/C21H27N5O/c1-15-22-11-13-26(15)12-10-20-24-18-14-17(8-9-19(18)25(20)2)23-21(27)16-6-4-3-5-7-16/h8-9,11,13-14,16H,3-7,10,12H2,1-2H3,(H,23,27)
InChIKeyHFQKLCKGBOFUQD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.84
Rot. Bonds5

About N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide

N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 17218632) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID17218632
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCc1nccn1CCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C
InChIInChI=1S/C21H27N5O/c1-15-22-11-13-26(15)12-10-20-24-18-14-17(8-9-19(18)25(20)2)23-21(27)16-6-4-3-5-7-16/h8-9,11,13-14,16H,3-7,10,12H2,1-2H3,(H,23,27)
InChIKeyHFQKLCKGBOFUQD-UHFFFAOYSA-N
XLogP3.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
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CID 17218678
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
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N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
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N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-[4-[5-(cyclohexanecarbonylamino)-1-methylindol-2-yl]phenyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide (CID 17218632) is N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide is Cc1nccn1CCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C.
What is the InChIKey of N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is HFQKLCKGBOFUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-22-11-13-26(15)12-10-20-24-18-14-17(8-9-19(18)25(20)2)23-21(27)16-6-4-3-5-7-16/h8-9,11,13-14,16H,3-7,10,12H2,1-2H3,(H,23,27).
What are the key properties of N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 17218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).