N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine

C20H27N5O — CID 154762348

IUPACN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
SMILESCc1ccc2c(c1)nc(CNC[C@@H]1CCCO[C@H]1c1nccn1C)n2C
InChIInChI=1S/C20H27N5O/c1-14-6-7-17-16(11-14)23-18(25(17)3)13-21-12-15-5-4-10-26-19(15)20-22-8-9-24(20)2/h6-9,11,15,19,21H,4-5,10,12-13H2,1-3H3/t15-,19+/m0/s1
InChIKeyFRKPMOCVFGKHTI-HNAYVOBHSA-N
MW353.47 g/mol
LogP2.87
Rot. Bonds5

About N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine (PubChem CID 154762348) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
PubChem CID154762348
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
SMILESCc1ccc2c(c1)nc(CNC[C@@H]1CCCO[C@H]1c1nccn1C)n2C
InChIInChI=1S/C20H27N5O/c1-14-6-7-17-16(11-14)23-18(25(17)3)13-21-12-15-5-4-10-26-19(15)20-22-8-9-24(20)2/h6-9,11,15,19,21H,4-5,10,12-13H2,1-3H3/t15-,19+/m0/s1
InChIKeyFRKPMOCVFGKHTI-HNAYVOBHSA-N
XLogP2.87
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 154802200
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 154761426
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154800917
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154761428
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
CID 167805099
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine (CID 154762348) is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine is Cc1ccc2c(c1)nc(CNC[C@@H]1CCCO[C@H]1c1nccn1C)n2C.
What is the InChIKey of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The InChIKey is FRKPMOCVFGKHTI-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-6-7-17-16(11-14)23-18(25(17)3)13-21-12-15-5-4-10-26-19(15)20-22-8-9-24(20)2/h6-9,11,15,19,21H,4-5,10,12-13H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine has a molecular weight of 353.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 154762348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).