N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine

C16H18N4 — CID 146123718

IUPACN-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C16H18N4/c1-20(13-7-3-2-4-8-13)12-11-17-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyBZCCMZNNMNSYKK-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.11
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine

N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 146123718) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID146123718
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C16H18N4/c1-20(13-7-3-2-4-8-13)12-11-17-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyBZCCMZNNMNSYKK-UHFFFAOYSA-N
XLogP3.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174826614
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
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N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
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CID 103868134
N-prop-2-enyl-1H-benzimidazol-2-amine
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CID 113327793

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine (CID 146123718) is N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine is CN(CCNc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is BZCCMZNNMNSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20(13-7-3-2-4-8-13)12-11-17-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine?
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 146123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).