2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine

C11H13N3 — CID 83697347

IUPAC2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
SMILESCc1cc(N)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C11H13N3/c1-6-4-8(12)10-9(5-6)13-11(14-10)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14)
InChIKeyPHNMZCKWNHJNJT-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.33
Rot. Bonds1

About 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine

2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine (PubChem CID 83697347) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
PubChem CID83697347
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
SMILESCc1cc(N)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C11H13N3/c1-6-4-8(12)10-9(5-6)13-11(14-10)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14)
InChIKeyPHNMZCKWNHJNJT-UHFFFAOYSA-N
XLogP2.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449
2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol
CID 66978175
2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole
CID 82947137
2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane
CID 162380964
2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
CID 56961805
[2-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
CID 82946852
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
CID 90261891
6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine
CID 107178979
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206
6-bromo-2-(3-methyloxan-4-yl)-1H-benzimidazol-4-amine
CID 114241341
2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
CID 91442078

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine (CID 83697347) is 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine is Cc1cc(N)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine?
The InChIKey is PHNMZCKWNHJNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-6-4-8(12)10-9(5-6)13-11(14-10)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine?
2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 83697347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).