N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine

C13H18N4 — CID 55141811

IUPACN-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C13H18N4/c1-17(10-6-7-10)9-8-14-13-15-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3,(H2,14,15,16)
InChIKeyAOKCHQGEJQUOSR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine

N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 55141811) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID55141811
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C13H18N4/c1-17(10-6-7-10)9-8-14-13-15-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3,(H2,14,15,16)
InChIKeyAOKCHQGEJQUOSR-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine (CID 55141811) is N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNc1nc2ccccc2[nH]1)C1CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is AOKCHQGEJQUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(10-6-7-10)9-8-14-13-15-11-4-2-3-5-12(11)16-13/h2-5,10H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.07, 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'-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55141811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).