6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine

C14H10ClF2N3 — CID 82564403

IUPAC6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10ClF2N3/c15-9-2-4-12-13(5-9)20-14(19-12)18-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2,(H2,18,19,20)
InChIKeyOLMSUBYXNUBOQJ-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine

6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 82564403) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID82564403
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C14H10ClF2N3/c15-9-2-4-12-13(5-9)20-14(19-12)18-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2,(H2,18,19,20)
InChIKeyOLMSUBYXNUBOQJ-UHFFFAOYSA-N
XLogP4.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82563097
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine (CID 82564403) is 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine is Fc1ccc(CNc2nc3ccc(Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is OLMSUBYXNUBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c15-9-2-4-12-13(5-9)20-14(19-12)18-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2,(H2,18,19,20).
What are the key properties of 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 293.70 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).