2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium

C20H31N4O+ — CID 4581778

IUPAC2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C20H30N4O/c1-3-23(4-2)13-12-21-20(25)16-10-11-19-18(14-16)22-15-24(19)17-8-6-5-7-9-17/h10-11,14-15,17H,3-9,12-13H2,1-2H3,(H,21,25)/p+1
InChIKeyQLRYGFSBHZXAKD-UHFFFAOYSA-O
MW343.50 g/mol
LogP2.20
Rot. Bonds7

About 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium

2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium (PubChem CID 4581778) has the molecular formula C20H31N4O+ and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
PubChem CID4581778
Molecular FormulaC20H31N4O+
Molecular Weight343.50 g/mol
Exact Mass343.25
IUPAC Name2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C20H30N4O/c1-3-23(4-2)13-12-21-20(25)16-10-11-19-18(14-16)22-15-24(19)17-8-6-5-7-9-17/h10-11,14-15,17H,3-9,12-13H2,1-2H3,(H,21,25)/p+1
InChIKeyQLRYGFSBHZXAKD-UHFFFAOYSA-O
XLogP2.20
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
1-cyclopentyl-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide
CID 5113632
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
CID 92614300
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3245353
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium?
The IUPAC name of 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium (CID 4581778) is 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium?
The canonical SMILES for 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium?
The InChIKey is QLRYGFSBHZXAKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N4O/c1-3-23(4-2)13-12-21-20(25)16-10-11-19-18(14-16)22-15-24(19)17-8-6-5-7-9-17/h10-11,14-15,17H,3-9,12-13H2,1-2H3,(H,21,25)/p+1.
What are the key properties of 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium?
2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium has a molecular weight of 343.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylbenzimidazole-5-carbonyl)amino]ethyl-diethylazanium is sourced from PubChem (CID 4581778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).