N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide

C14H13BrN4O — CID 18126137

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H13BrN4O/c15-9-7-12(17-8-9)14(20)16-6-5-13-18-10-3-1-2-4-11(10)19-13/h1-4,7-8,17H,5-6H2,(H,16,20)(H,18,19)
InChIKeyLGYVNWWCQWFCQK-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide (PubChem CID 18126137) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
PubChem CID18126137
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H13BrN4O/c15-9-7-12(17-8-9)14(20)16-6-5-13-18-10-3-1-2-4-11(10)19-13/h1-4,7-8,17H,5-6H2,(H,16,20)(H,18,19)
InChIKeyLGYVNWWCQWFCQK-UHFFFAOYSA-N
XLogP2.63
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-iodobenzamide
CID 34258206
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide (CID 18126137) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)c[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide?
The InChIKey is LGYVNWWCQWFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-9-7-12(17-8-9)14(20)16-6-5-13-18-10-3-1-2-4-11(10)19-13/h1-4,7-8,17H,5-6H2,(H,16,20)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18126137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).