3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine

C21H21FN6 — CID 118278442

IUPAC3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine
SMILESCc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
InChIInChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyINGJMHPGMVUEKY-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.43
Rot. Bonds5

About 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine

3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine (PubChem CID 118278442) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine
PubChem CID118278442
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine
SMILESCc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1
InChIInChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyINGJMHPGMVUEKY-UHFFFAOYSA-N
XLogP4.43
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 57469
Abemaciclib
CID 46220502
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CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
PF-4708671
CID 51371303
Apto-253
CID 11960271
N-Hydroxy-3-methyl-3H-imidazo(4,5-f)quinolin-2-amine
CID 105079
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-amine
CID 846184

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine (CID 118278442) is 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine is Cc1c(F)c(Nc2ccc(-c3cn(C)cn3)cn2)cc2c1ncn2CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine?
The InChIKey is INGJMHPGMVUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26).
What are the key properties of 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine?
3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine has a molecular weight of 376.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine is sourced from PubChem (CID 118278442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).