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

C14H22N4 — CID 115195642

IUPACN'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
SMILESCc1nc2ccc(C(C)(C)CNCCN)cc2[nH]1
InChIInChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)14(2,3)9-16-7-6-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyMGVDBVRVISLTHM-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.70
Rot. Bonds5

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

N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine (PubChem CID 115195642) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
PubChem CID115195642
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
SMILESCc1nc2ccc(C(C)(C)CNCCN)cc2[nH]1
InChIInChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)14(2,3)9-16-7-6-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyMGVDBVRVISLTHM-UHFFFAOYSA-N
XLogP1.70
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.70
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

N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195641
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 115197598
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
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
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine (CID 115195642) is N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine is Cc1nc2ccc(C(C)(C)CNCCN)cc2[nH]1.
What is the InChIKey of N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine?
The InChIKey is MGVDBVRVISLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)14(2,3)9-16-7-6-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18).
What are the key properties of N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine?
N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115195642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).