5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine

C19H17N5 — CID 15230291

IUPAC5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
SMILESc1ccc(CNc2ccc3nc(Nc4cccnc4)[nH]c3c2)cc1
InChIInChI=1S/C19H17N5/c1-2-5-14(6-3-1)12-21-15-8-9-17-18(11-15)24-19(23-17)22-16-7-4-10-20-13-16/h1-11,13,21H,12H2,(H2,22,23,24)
InChIKeyKVOXXXKOFXZVFV-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.31
Rot. Bonds5

About 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine

5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine (PubChem CID 15230291) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
PubChem CID15230291
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
SMILESc1ccc(CNc2ccc3nc(Nc4cccnc4)[nH]c3c2)cc1
InChIInChI=1S/C19H17N5/c1-2-5-14(6-3-1)12-21-15-8-9-17-18(11-15)24-19(23-17)22-16-7-4-10-20-13-16/h1-11,13,21H,12H2,(H2,22,23,24)
InChIKeyKVOXXXKOFXZVFV-UHFFFAOYSA-N
XLogP4.31
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
2-(1H-benzimidazol-2-yl)-3-hydroxy-1-phenyl-3-[3-(pyridin-3-ylmethylamino)phenyl]prop-2-en-1-one;hydrochloride
CID 157182034
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3H-benzimidazol-5-amine
CID 591998
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine?
The IUPAC name of 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine (CID 15230291) is 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine is c1ccc(CNc2ccc3nc(Nc4cccnc4)[nH]c3c2)cc1.
What is the InChIKey of 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine?
The InChIKey is KVOXXXKOFXZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-5-14(6-3-1)12-21-15-8-9-17-18(11-15)24-19(23-17)22-16-7-4-10-20-13-16/h1-11,13,21H,12H2,(H2,22,23,24).
What are the key properties of 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine?
5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine has a molecular weight of 315.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 15230291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).