N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine

C14H20N4 — CID 113361498

IUPACN-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCNCC3)cc2[nH]1
InChIInChI=1S/C14H20N4/c1-10-16-13-5-4-12(9-14(13)17-10)18-11-3-2-7-15-8-6-11/h4-5,9,11,15,18H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyOXFLLPCOLLXJEE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.43
Rot. Bonds2

About N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine

N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 113361498) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID113361498
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCNCC3)cc2[nH]1
InChIInChI=1S/C14H20N4/c1-10-16-13-5-4-12(9-14(13)17-10)18-11-3-2-7-15-8-6-11/h4-5,9,11,15,18H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyOXFLLPCOLLXJEE-UHFFFAOYSA-N
XLogP2.43
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine (CID 113361498) is N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CCCNCC3)cc2[nH]1.
What is the InChIKey of N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is OXFLLPCOLLXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-16-13-5-4-12(9-14(13)17-10)18-11-3-2-7-15-8-6-11/h4-5,9,11,15,18H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine?
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 113361498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).