2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine

C18H27N3 — CID 63498106

IUPAC2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CC1CCC(CC)CC1
InChIInChI=1S/C18H27N3/c1-3-13-5-7-14(8-6-13)12-21-17-10-9-15(19)11-16(17)20-18(21)4-2/h9-11,13-14H,3-8,12,19H2,1-2H3
InChIKeyVRLJDEWAUHHGEW-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.40
Rot. Bonds4

About 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine

2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine (PubChem CID 63498106) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
PubChem CID63498106
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CC1CCC(CC)CC1
InChIInChI=1S/C18H27N3/c1-3-13-5-7-14(8-6-13)12-21-17-10-9-15(19)11-16(17)20-18(21)4-2/h9-11,13-14H,3-8,12,19H2,1-2H3
InChIKeyVRLJDEWAUHHGEW-UHFFFAOYSA-N
XLogP4.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
CID 62508197
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137534

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine (CID 63498106) is 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1CC1CCC(CC)CC1.
What is the InChIKey of 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine?
The InChIKey is VRLJDEWAUHHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-13-5-7-14(8-6-13)12-21-17-10-9-15(19)11-16(17)20-18(21)4-2/h9-11,13-14H,3-8,12,19H2,1-2H3.
What are the key properties of 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine?
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 63498106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).