N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine

C13H15N3 — CID 155173890

IUPACN-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
SMILESC=C/C=C\N(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H15N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h4-10H,1H2,2-3H3/b10-5-
InChIKeyRPOWZHBFOAIGNI-YHYXMXQVSA-N
MW213.28 g/mol
LogP2.71
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine

N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine (PubChem CID 155173890) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
PubChem CID155173890
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
SMILESC=C/C=C\N(C)c1nc2ccccc2n1C
InChIInChI=1S/C13H15N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h4-10H,1H2,2-3H3/b10-5-
InChIKeyRPOWZHBFOAIGNI-YHYXMXQVSA-N
XLogP2.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
CID 113341922
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxamide
CID 86792753
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
N,1,5-trimethyl-N-(1-methylbenzimidazol-2-yl)pyrrole-2-carboxamide
CID 86792862
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine (CID 155173890) is N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine is C=C/C=C\N(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is RPOWZHBFOAIGNI-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H15N3/c1-4-5-10-15(2)13-14-11-8-6-7-9-12(11)16(13)3/h4-10H,1H2,2-3H3/b10-5-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine?
N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 155173890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).