2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine

C18H27N3 — CID 65091300

IUPAC2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCC(C(C)C)CC3)cc2[nH]1
InChIInChI=1S/C18H27N3/c1-12(2)14-5-4-6-15(8-7-14)21-16-9-10-17-18(11-16)20-13(3)19-17/h9-12,14-15,21H,4-8H2,1-3H3,(H,19,20)
InChIKeyVOPWHUMLIHIRFD-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.89
Rot. Bonds3

About 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine

2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine (PubChem CID 65091300) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine
PubChem CID65091300
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCC(C(C)C)CC3)cc2[nH]1
InChIInChI=1S/C18H27N3/c1-12(2)14-5-4-6-15(8-7-14)21-16-9-10-17-18(11-16)20-13(3)19-17/h9-12,14-15,21H,4-8H2,1-3H3,(H,19,20)
InChIKeyVOPWHUMLIHIRFD-UHFFFAOYSA-N
XLogP4.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine (CID 65091300) is 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CCCC(C(C)C)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine?
The InChIKey is VOPWHUMLIHIRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)14-5-4-6-15(8-7-14)21-16-9-10-17-18(11-16)20-13(3)19-17/h9-12,14-15,21H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine?
2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 65091300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).