6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine

C22H20N4 — CID 141335659

IUPAC6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine
SMILESNc1cc(C2CC2)cc(-c2ccc3c(c2)ncn3Cc2ccccc2)n1
InChIInChI=1S/C22H20N4/c23-22-12-18(16-6-7-16)11-19(25-22)17-8-9-21-20(10-17)24-14-26(21)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H2,23,25)
InChIKeyMEDPHNWUUSHNEY-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.61
Rot. Bonds4

About 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine

6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine (PubChem CID 141335659) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine
PubChem CID141335659
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine
SMILESNc1cc(C2CC2)cc(-c2ccc3c(c2)ncn3Cc2ccccc2)n1
InChIInChI=1S/C22H20N4/c23-22-12-18(16-6-7-16)11-19(25-22)17-8-9-21-20(10-17)24-14-26(21)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H2,23,25)
InChIKeyMEDPHNWUUSHNEY-UHFFFAOYSA-N
XLogP4.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-benzyl-5-methylbenzimidazole
CID 12620837
3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide
CID 141335658
1-benzyl-5-isocyanobenzimidazole
CID 140845939
1-benzyl-5-methoxybenzimidazole
CID 10900689
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
CID 106900793
1-[(4-fluorophenyl)methyl]benzimidazol-5-amine;trihydrochloride
CID 76853822
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine?
The IUPAC name of 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine (CID 141335659) is 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine.
What is the SMILES notation for 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine?
The canonical SMILES for 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine is Nc1cc(C2CC2)cc(-c2ccc3c(c2)ncn3Cc2ccccc2)n1.
What is the InChIKey of 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine?
The InChIKey is MEDPHNWUUSHNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c23-22-12-18(16-6-7-16)11-19(25-22)17-8-9-21-20(10-17)24-14-26(21)13-15-4-2-1-3-5-15/h1-5,8-12,14,16H,6-7,13H2,(H2,23,25).
What are the key properties of 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine?
6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylbenzimidazol-5-yl)-4-cyclopropylpyridin-2-amine is sourced from PubChem (CID 141335659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).