4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide

C18H17BrN4O — CID 11958560

IUPAC4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H17BrN4O/c19-13-5-8-15-16(9-13)23-18(22-15)21-14-6-3-12(4-7-14)17(24)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H,20,24)(H2,21,22,23)
InChIKeyDAKQEOWIWKAJMO-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.21
Rot. Bonds5

About 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide

4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide (PubChem CID 11958560) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide
PubChem CID11958560
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C18H17BrN4O/c19-13-5-8-15-16(9-13)23-18(22-15)21-14-6-3-12(4-7-14)17(24)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H,20,24)(H2,21,22,23)
InChIKeyDAKQEOWIWKAJMO-UHFFFAOYSA-N
XLogP4.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide (CID 11958560) is 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide is O=C(NCC1CC1)c1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide?
The InChIKey is DAKQEOWIWKAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-13-5-8-15-16(9-13)23-18(22-15)21-14-6-3-12(4-7-14)17(24)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H,20,24)(H2,21,22,23).
What are the key properties of 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide?
4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide has a molecular weight of 385.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 11958560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).