3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine

C20H18FN5 — CID 11996234

IUPAC3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine
SMILESFc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3c2)cc1
InChIInChI=1S/C20H18FN5/c21-15-5-1-13(2-6-15)11-22-16-7-8-17-19(9-16)26(12-23-17)20-10-18(24-25-20)14-3-4-14/h1-2,5-10,12,14,22H,3-4,11H2,(H,24,25)
InChIKeyUSLKCZHMJRKBER-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.38
Rot. Bonds5

About 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine

3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine (PubChem CID 11996234) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine
PubChem CID11996234
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine
SMILESFc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3c2)cc1
InChIInChI=1S/C20H18FN5/c21-15-5-1-13(2-6-15)11-22-16-7-8-17-19(9-16)26(12-23-17)20-10-18(24-25-20)14-3-4-14/h1-2,5-10,12,14,22H,3-4,11H2,(H,24,25)
InChIKeyUSLKCZHMJRKBER-UHFFFAOYSA-N
XLogP4.38
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
CID 69174008
1-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]benzimidazole-4-carbonitrile
CID 66589195
9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine
CID 69150294
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
CID 70841013
6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
CID 69150068
2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
CID 68910804
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
CID 90711232
3-(2-chloropyrrol-1-yl)-5-cyclopropyl-1H-pyrazole
CID 141198855
1-(5-cyclopropyl-1H-pyrazol-3-yl)imidazole-4,5-dicarboxamide
CID 66623034
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 104776123

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine (CID 11996234) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine is Fc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3c2)cc1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine?
The InChIKey is USLKCZHMJRKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-15-5-1-13(2-6-15)11-22-16-7-8-17-19(9-16)26(12-23-17)20-10-18(24-25-20)14-3-4-14/h1-2,5-10,12,14,22H,3-4,11H2,(H,24,25).
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine?
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine has a molecular weight of 347.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(4-fluorophenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 11996234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).