(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

C16H24N4O — CID 103929612

IUPAC(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C16H24N4O/c1-11-19-12-7-5-6-8-13(12)20(11)10-9-18-15(21)14(17)16(2,3)4/h5-8,14H,9-10,17H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyCEVRRROKJIIUHZ-AWEZNQCLSA-N
MW288.39 g/mol
LogP1.83
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (PubChem CID 103929612) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
PubChem CID103929612
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C16H24N4O/c1-11-19-12-7-5-6-8-13(12)20(11)10-9-18-15(21)14(17)16(2,3)4/h5-8,14H,9-10,17H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyCEVRRROKJIIUHZ-AWEZNQCLSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775677
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (CID 103929612) is (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is Cc1nc2ccccc2n1CCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is CEVRRROKJIIUHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-19-12-7-5-6-8-13(12)20(11)10-9-18-15(21)14(17)16(2,3)4/h5-8,14H,9-10,17H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 103929612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).