1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine

C11H14N4 — CID 143724992

IUPAC1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(CNc1nc2ccccc2[nH]1)NC
InChIInChI=1S/C11H14N4/c1-8(12-2)7-13-11-14-9-5-3-4-6-10(9)15-11/h3-6,12H,1,7H2,2H3,(H2,13,14,15)
InChIKeyNTIQMGBBDUKDMW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.71
Rot. Bonds4

About 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine

1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine (PubChem CID 143724992) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
PubChem CID143724992
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(CNc1nc2ccccc2[nH]1)NC
InChIInChI=1S/C11H14N4/c1-8(12-2)7-13-11-14-9-5-3-4-6-10(9)15-11/h3-6,12H,1,7H2,2H3,(H2,13,14,15)
InChIKeyNTIQMGBBDUKDMW-UHFFFAOYSA-N
XLogP1.71
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
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CID 157412307
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
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(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
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N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
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CID 119092998
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
(1H-benzimidazol-2-ylamino)methylphosphonic acid
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CID 83296982

Frequently Asked Questions

What is the IUPAC name of 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine?
The IUPAC name of 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine (CID 143724992) is 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine is C=C(CNc1nc2ccccc2[nH]1)NC.
What is the InChIKey of 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine?
The InChIKey is NTIQMGBBDUKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(12-2)7-13-11-14-9-5-3-4-6-10(9)15-11/h3-6,12H,1,7H2,2H3,(H2,13,14,15).
What are the key properties of 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine?
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine is sourced from PubChem (CID 143724992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).