N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine

C15H19N3 — CID 103868357

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCn1c(NCC2(C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C15H19N3/c1-18-13-5-3-2-4-12(13)17-14(18)16-10-15(8-9-15)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyVWQASFDBNIPFEC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 103868357) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID103868357
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCn1c(NCC2(C3CC3)CC2)nc2ccccc21
InChIInChI=1S/C15H19N3/c1-18-13-5-3-2-4-12(13)17-14(18)16-10-15(8-9-15)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyVWQASFDBNIPFEC-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylbenzimidazol-2-yl)methanamine
CID 103838563
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylbenzimidazol-2-amine
CID 115455796
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
1-methyl-N-(3-methylcyclopentyl)benzimidazol-2-amine
CID 114547792
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine (CID 103868357) is N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine is Cn1c(NCC2(C3CC3)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is VWQASFDBNIPFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-13-5-3-2-4-12(13)17-14(18)16-10-15(8-9-15)11-6-7-11/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 103868357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).