N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide

C13H11BrN4O2 — CID 166370793

IUPACN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide
SMILESNCc1nc2ccc(NC(=O)c3cc(Br)co3)cc2[nH]1
InChIInChI=1S/C13H11BrN4O2/c14-7-3-11(20-6-7)13(19)16-8-1-2-9-10(4-8)18-12(5-15)17-9/h1-4,6H,5,15H2,(H,16,19)(H,17,18)
InChIKeyVIOZOWZWMUVCML-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide

N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide (PubChem CID 166370793) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide
PubChem CID166370793
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC NameN-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide
SMILESNCc1nc2ccc(NC(=O)c3cc(Br)co3)cc2[nH]1
InChIInChI=1S/C13H11BrN4O2/c14-7-3-11(20-6-7)13(19)16-8-1-2-9-10(4-8)18-12(5-15)17-9/h1-4,6H,5,15H2,(H,16,19)(H,17,18)
InChIKeyVIOZOWZWMUVCML-UHFFFAOYSA-N
XLogP2.63
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 7421194
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 166261890
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
2-(aminomethyl)-3H-benzimidazole-5-sulfonate
CID 153436267
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
CID 70062661
2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 112523669
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide (CID 166370793) is N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide is NCc1nc2ccc(NC(=O)c3cc(Br)co3)cc2[nH]1.
What is the InChIKey of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide?
The InChIKey is VIOZOWZWMUVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-7-3-11(20-6-7)13(19)16-8-1-2-9-10(4-8)18-12(5-15)17-9/h1-4,6H,5,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide?
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide is sourced from PubChem (CID 166370793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).