N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine

C14H20N4 — CID 96674922

IUPACN'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H20N4/c1-17(7-6-15)9-11-2-5-14-13(8-11)16-10-18(14)12-3-4-12/h2,5,8,10,12H,3-4,6-7,9,15H2,1H3
InChIKeyIXZWBVVRKVPUGM-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.76
Rot. Bonds5

About N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 96674922) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID96674922
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H20N4/c1-17(7-6-15)9-11-2-5-14-13(8-11)16-10-18(14)12-3-4-12/h2,5,8,10,12H,3-4,6-7,9,15H2,1H3
InChIKeyIXZWBVVRKVPUGM-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine (CID 96674922) is N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is IXZWBVVRKVPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(7-6-15)9-11-2-5-14-13(8-11)16-10-18(14)12-3-4-12/h2,5,8,10,12H,3-4,6-7,9,15H2,1H3.
What are the key properties of N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 96674922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).