N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine

C12H17N3 — CID 82491783

IUPACN-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
SMILESCNCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3/c1-8(2)12-14-10-5-4-9(7-13-3)6-11(10)15-12/h4-6,8,13H,7H2,1-3H3,(H,14,15)
InChIKeyRXEHDLNACQCXQW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine

N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine (PubChem CID 82491783) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
PubChem CID82491783
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
SMILESCNCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C12H17N3/c1-8(2)12-14-10-5-4-9(7-13-3)6-11(10)15-12/h4-6,8,13H,7H2,1-3H3,(H,14,15)
InChIKeyRXEHDLNACQCXQW-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
CID 84683142
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine (CID 82491783) is N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine is CNCc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is RXEHDLNACQCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)12-14-10-5-4-9(7-13-3)6-11(10)15-12/h4-6,8,13H,7H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine?
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 82491783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).