(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine

C18H25N5 — CID 95205742

IUPAC(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
SMILESCc1ccc2[nH]c(CN[C@@H](Cn3ccnc3)C(C)C)nc2c1C
InChIInChI=1S/C18H25N5/c1-12(2)16(10-23-8-7-19-11-23)20-9-17-21-15-6-5-13(3)14(4)18(15)22-17/h5-8,11-12,16,20H,9-10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyMTXBBVXKJLSTKX-INIZCTEOSA-N
MW311.43 g/mol
LogP3.19
Rot. Bonds6

About (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine

(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine (PubChem CID 95205742) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
PubChem CID95205742
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
SMILESCc1ccc2[nH]c(CN[C@@H](Cn3ccnc3)C(C)C)nc2c1C
InChIInChI=1S/C18H25N5/c1-12(2)16(10-23-8-7-19-11-23)20-9-17-21-15-6-5-13(3)14(4)18(15)22-17/h5-8,11-12,16,20H,9-10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyMTXBBVXKJLSTKX-INIZCTEOSA-N
XLogP3.19
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine with MolForge

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Related Compounds

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 50979337
(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95224011
5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
CID 97257201
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 135101692
N-(4-chloro-2-fluorophenyl)-2-[(1-imidazol-1-yl-3-methylbutan-2-yl)amino]acetamide
CID 50972399
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43749571
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 166268986
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine (CID 95205742) is (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine is Cc1ccc2[nH]c(CN[C@@H](Cn3ccnc3)C(C)C)nc2c1C.
What is the InChIKey of (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine?
The InChIKey is MTXBBVXKJLSTKX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5/c1-12(2)16(10-23-8-7-19-11-23)20-9-17-21-15-6-5-13(3)14(4)18(15)22-17/h5-8,11-12,16,20H,9-10H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine?
(2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-imidazol-1-yl-3-methylbutan-2-amine is sourced from PubChem (CID 95205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).