5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide

C14H12ClFN4OS — CID 166360703

IUPAC5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)s1
InChIInChI=1S/C14H12ClFN4OS/c15-8-3-10-11(4-9(8)16)20-13(19-10)6-18-14(21)12-2-1-7(5-17)22-12/h1-4H,5-6,17H2,(H,18,21)(H,19,20)
InChIKeyVRLPAZFIKIPADB-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.81
Rot. Bonds4

About 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide

5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 166360703) has the molecular formula C14H12ClFN4OS and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID166360703
Molecular FormulaC14H12ClFN4OS
Molecular Weight338.80 g/mol
Exact Mass338.04
IUPAC Name5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)s1
InChIInChI=1S/C14H12ClFN4OS/c15-8-3-10-11(4-9(8)16)20-13(19-10)6-18-14(21)12-2-1-7(5-17)22-12/h1-4H,5-6,17H2,(H,18,21)(H,19,20)
InChIKeyVRLPAZFIKIPADB-UHFFFAOYSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 82171998
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
2,4-dichloro-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)benzamide
CID 117074975
5-(aminomethyl)-N-prop-2-ynylthiophene-2-carboxamide
CID 82505267
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
5-chloro-6-fluoro-1H-benzimidazole-2-carboxylic acid
CID 68636952
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
3-[[2-(4-chloro-3-fluorophenoxy)-1-hydroxyethyl]amino]-N-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 170087553
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 166360703) is 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide is NCc1ccc(C(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is VRLPAZFIKIPADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4OS/c15-8-3-10-11(4-9(8)16)20-13(19-10)6-18-14(21)12-2-1-7(5-17)22-12/h1-4H,5-6,17H2,(H,18,21)(H,19,20).
What are the key properties of 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide?
5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 166360703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).