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

C14H22N4 — CID 115134746

IUPAC3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
SMILESCc1nc2ccc(CNC(C)(C)CCN)cc2[nH]1
InChIInChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)9-16-14(2,3)6-7-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyAHJVCTIWERRWSP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.09
Rot. Bonds5

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

3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine (PubChem CID 115134746) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
PubChem CID115134746
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
SMILESCc1nc2ccc(CNC(C)(C)CCN)cc2[nH]1
InChIInChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)9-16-14(2,3)6-7-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18)
InChIKeyAHJVCTIWERRWSP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115126073
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine (CID 115134746) is 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine is Cc1nc2ccc(CNC(C)(C)CCN)cc2[nH]1.
What is the InChIKey of 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine?
The InChIKey is AHJVCTIWERRWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-17-12-5-4-11(8-13(12)18-10)9-16-14(2,3)6-7-15/h4-5,8,16H,6-7,9,15H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine?
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115134746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).