N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine

C15H22N4 — CID 115207103

IUPACN'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc2ccc(CCNCCNC3CC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-18-14-5-2-12(10-15(14)19-11)6-7-16-8-9-17-13-3-4-13/h2,5,10,13,16-17H,3-4,6-9H2,1H3,(H,18,19)
InChIKeyDSWNUXRUNUOFTJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.76
Rot. Bonds7

About N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 115207103) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID115207103
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc2ccc(CCNCCNC3CC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-18-14-5-2-12(10-15(14)19-11)6-7-16-8-9-17-13-3-4-13/h2,5,10,13,16-17H,3-4,6-9H2,1H3,(H,18,19)
InChIKeyDSWNUXRUNUOFTJ-UHFFFAOYSA-N
XLogP1.76
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine (CID 115207103) is N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine is Cc1nc2ccc(CCNCCNC3CC3)cc2[nH]1.
What is the InChIKey of N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is DSWNUXRUNUOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-18-14-5-2-12(10-15(14)19-11)6-7-16-8-9-17-13-3-4-13/h2,5,10,13,16-17H,3-4,6-9H2,1H3,(H,18,19).
What are the key properties of N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115207103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).