N-benzyl-3H-benzimidazol-5-amine

C14H13N3 — CID 53441479

IUPACN-benzyl-3H-benzimidazol-5-amine
SMILESc1ccc(CNc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-11(5-3-1)9-15-12-6-7-13-14(8-12)17-10-16-13/h1-8,10,15H,9H2,(H,16,17)
InChIKeyFSRYAPDLWNOBIU-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-benzyl-3H-benzimidazol-5-amine

N-benzyl-3H-benzimidazol-5-amine (PubChem CID 53441479) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-benzyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3H-benzimidazol-5-amine
PubChem CID53441479
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-benzyl-3H-benzimidazol-5-amine
SMILESc1ccc(CNc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3/c1-2-4-11(5-3-1)9-15-12-6-7-13-14(8-12)17-10-16-13/h1-8,10,15H,9H2,(H,16,17)
InChIKeyFSRYAPDLWNOBIU-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401
N-(2-methylpropyl)-3H-benzimidazol-5-amine
CID 67445159
2-[6-(3H-benzimidazol-5-ylmethylamino)-1H-benzimidazol-2-yl]-3-(3,5-difluorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
CID 152755136
3-(3H-benzimidazol-5-ylamino)-4-[(4-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 87697335
N-(3H-benzimidazol-5-yl)-N'-methylsulfanylethane-1,2-diamine
CID 167274409
4-(3H-benzimidazol-5-ylamino)-3-methylbutanoic acid
CID 115219744
N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine
CID 141364452
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
CID 108885872
3-[(3-acetylphenyl)methylamino]-4-(3H-benzimidazol-5-ylamino)cyclobut-3-ene-1,2-dione
CID 87746631
1-(3H-benzimidazol-5-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 25062914
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3H-benzimidazol-5-amine?
The IUPAC name of N-benzyl-3H-benzimidazol-5-amine (CID 53441479) is N-benzyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-benzyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-benzyl-3H-benzimidazol-5-amine is c1ccc(CNc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-benzyl-3H-benzimidazol-5-amine?
The InChIKey is FSRYAPDLWNOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-11(5-3-1)9-15-12-6-7-13-14(8-12)17-10-16-13/h1-8,10,15H,9H2,(H,16,17).
What are the key properties of N-benzyl-3H-benzimidazol-5-amine?
N-benzyl-3H-benzimidazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 53441479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).