N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine

C12H13N3 — CID 143225859

IUPACN,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine
SMILESC#CCN(C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H13N3/c1-4-7-15(3)12-13-10-6-5-9(2)8-11(10)14-12/h1,5-6,8H,7H2,2-3H3,(H,13,14)
InChIKeyCNUNUHSYGLIQHH-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.94
Rot. Bonds2

About N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine

N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine (PubChem CID 143225859) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine
PubChem CID143225859
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine
SMILESC#CCN(C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H13N3/c1-4-7-15(3)12-13-10-6-5-9(2)8-11(10)14-12/h1,5-6,8H,7H2,2-3H3,(H,13,14)
InChIKeyCNUNUHSYGLIQHH-UHFFFAOYSA-N
XLogP1.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295608
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
CID 53274322
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 12051576
N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine
CID 103295352
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine?
The IUPAC name of N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine (CID 143225859) is N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine is C#CCN(C)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine?
The InChIKey is CNUNUHSYGLIQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-4-7-15(3)12-13-10-6-5-9(2)8-11(10)14-12/h1,5-6,8H,7H2,2-3H3,(H,13,14).
What are the key properties of N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine?
N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine has a molecular weight of 199.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-prop-2-ynyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 143225859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).