N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine

C15H19N3O — CID 103868382

IUPACN-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCOC2C2CC2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-5-3-2-4-11(13)16-15(18)17-12-8-9-19-14(12)10-6-7-10/h2-5,10,12,14H,6-9H2,1H3,(H,16,17)
InChIKeyTWBZCDHZWSKIPN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds3

About N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine

N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine (PubChem CID 103868382) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine
PubChem CID103868382
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCOC2C2CC2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-13-5-3-2-4-11(13)16-15(18)17-12-8-9-19-14(12)10-6-7-10/h2-5,10,12,14H,6-9H2,1H3,(H,16,17)
InChIKeyTWBZCDHZWSKIPN-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
1-methyl-N-(2-propylcyclopropyl)benzimidazol-2-amine
CID 103868174
1-methyl-N-(3-methylcyclopentyl)benzimidazol-2-amine
CID 114547792
1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
CID 113341915
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
CID 64669796
N-(2-cyclopropyloxolan-3-yl)-6-fluoropyridin-2-amine
CID 103864006
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
CID 103868357
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine (CID 103868382) is N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine is Cn1c(NC2CCOC2C2CC2)nc2ccccc21.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine?
The InChIKey is TWBZCDHZWSKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-13-5-3-2-4-11(13)16-15(18)17-12-8-9-19-14(12)10-6-7-10/h2-5,10,12,14H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine?
N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 103868382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).