N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine

C17H17N3O — CID 141364452

IUPACN-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine
SMILESCOc1ccccc1C=CCNc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-21-17-7-3-2-5-13(17)6-4-10-18-14-8-9-15-16(11-14)20-12-19-15/h2-9,11-12,18H,10H2,1H3,(H,19,20)
InChIKeyPEBCRZYAAPXYJZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds5

About N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine

N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine (PubChem CID 141364452) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine
PubChem CID141364452
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine
SMILESCOc1ccccc1C=CCNc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-21-17-7-3-2-5-13(17)6-4-10-18-14-8-9-15-16(11-14)20-12-19-15/h2-9,11-12,18H,10H2,1H3,(H,19,20)
InChIKeyPEBCRZYAAPXYJZ-UHFFFAOYSA-N
XLogP3.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-(3H-benzimidazol-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438956
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
[2-[3-(2-methoxyphenyl)prop-2-enylamino]phenyl]methanol
CID 91941437
N-(3H-benzimidazol-5-yl)-N'-methylsulfanylethane-1,2-diamine
CID 167274409
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
CID 166899759
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
1-(3H-benzimidazol-5-yl)-3-[(2,3-dimethoxyphenyl)methyl]thiourea;ethane
CID 145497541
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine (CID 141364452) is N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine is COc1ccccc1C=CCNc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine?
The InChIKey is PEBCRZYAAPXYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-7-3-2-5-13(17)6-4-10-18-14-8-9-15-16(11-14)20-12-19-15/h2-9,11-12,18H,10H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine?
N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 141364452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).