N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide

C21H26N4O — CID 125433670

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cccc2)CCCCC1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H26N4O/c26-20(22-15-19-23-17-8-2-3-9-18(17)24-19)14-21(10-4-1-5-11-21)16-25-12-6-7-13-25/h2-3,6-9,12-13H,1,4-5,10-11,14-16H2,(H,22,26)(H,23,24)
InChIKeyXRQOEZORHMRIGX-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.02
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125433670) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125433670
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cccc2)CCCCC1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H26N4O/c26-20(22-15-19-23-17-8-2-3-9-18(17)24-19)14-21(10-4-1-5-11-21)16-25-12-6-7-13-25/h2-3,6-9,12-13H,1,4-5,10-11,14-16H2,(H,22,26)(H,23,24)
InChIKeyXRQOEZORHMRIGX-UHFFFAOYSA-N
XLogP4.02
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125434491
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 146022159
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 75489438
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide (CID 125433670) is N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cccc2)CCCCC1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is XRQOEZORHMRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(22-15-19-23-17-8-2-3-9-18(17)24-19)14-21(10-4-1-5-11-21)16-25-12-6-7-13-25/h2-3,6-9,12-13H,1,4-5,10-11,14-16H2,(H,22,26)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125433670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).